SCHEMBL7644875

SCHEMBL7644875

CC=[Zr](C(C)=O)(C(C)=O)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL61249 0.76 HTR2A (0.34) MEN1KMT2ABRD4CCL2
SCHEMBL8699389 0.74 HTR2A (0.34) MEN1KMT2ABRD4CCL2
SCHEMBL1130930 0.73 HTR6 (0.33) BRD4CCL2
SCHEMBL61106 0.73 HTR6 (0.33) BRD4CCL2
SCHEMBL616106 0.73 HTR6 (0.33) BRD4CCL2
SCHEMBL7525478 0.72 HTR6 (0.32)
SCHEMBL819261 0.71 HTR2A (0.34) MEN1KMT2A
SCHEMBL6918052 0.71 HTR6 (0.31)
SCHEMBL616009 0.71 SIGMAR1 (0.32) MEN1KMT2A
SCHEMBL4019116 0.71 HTR6 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395846-B1 COORDINATION CATALYST COMPRISING CLAY, ORGANOSILANE COMPOUND, WATER, AND TRANSITION METAL COMPLEX; QUALITY IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1026176-A1 CATALYST FOR OLEFIN POLYMER PRODUCTION, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING OLEFIN POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-08-09 EP disclosed